Crystallography Open Database

Information card for entry 4085527

Preview

Coordinates	4085527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H76 Cl2 P4 Ru2
Calculated formula	C97 H76 Cl2 P4 Ru2
Title of publication	Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on Complex” Cross-Coupling Reactions
Authors of publication	Oerthel, Marie-Christine; Yufit, Dmitry S.; Fox, Mark A.; Bryce, Martin R.; Low, Paul J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2395
a	16.693 ± 0.007 Å
b	11.384 ± 0.004 Å
c	21.646 ± 0.009 Å
α	90°
β	98.678 ± 0.005°
γ	90°
Cell volume	4066 ± 3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2221
Weighted residual factors for all reflections included in the refinement	0.2575
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085527.cif
154759	2015-09-06	cif/ Updating files of 4085524, 4085525, 4085526, 4085527, 4085528 Original log message: Adding full bibliography for 4085524--4085528.cif.	4085527.cif
131964	2015-02-18	cif/ Adding structures of 4085524, 4085525, 4085526, 4085527, 4085528 via cif-deposit CGI script.	4085527.cif